Information card for entry 7213425

Structure parameters

• Formula: C27 H41 N3 O6 Si
• Calculated formula: C27 H41 N3 O6 Si
• SMILES: [Si](O[C@H](c1nc2c(c(=O)n1N(C(=O)C(C)C)C(=O)[C@H](OC(=O)C)C)cccc2)C(C)C)(C)(C)C(C)(C)C.[Si](O[C@@H](c1nc2c(c(=O)n1N(C(=O)C(C)C)C(=O)[C@@H](OC(=O)C)C)cccc2)C(C)C)(C)(C)C(C)(C)C
• Title of publication: Stereoisomerism in 3-[N-(2-acetoxypropanoyl)-N-acylamino]quinazolin-4(3H )-ones, enantioselective acylating agents
• Authors of publication: Al-Sehemi, Abdullah G.; Atkinson, Robert S.; Fawcett, John; Russell, David R.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 24
• Pages of publication: 4413
• a: 10.781 ± 0.002 Å
• b: 11.994 ± 0.003 Å
• c: 12.33 ± 0.003 Å
• α: 79.69 ± 0.02°
• β: 81.95 ± 0.02°
• γ: 78 ± 0.03°
• Cell volume: 1525.6 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1494
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1848
• Weighted residual factors for all reflections included in the refinement: 0.2251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No